Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5209455 | 0.92 | CYP1A2 (0.31) | POLBCYP1A2CYP2C19 | |
| SCHEMBL5244065 | 0.86 | POLB (0.35) | POLBCYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL5244059 | 0.85 | POLB (0.32) | POLBCYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL5211288 | 0.85 | FLT1 (0.35) | — | |
| SCHEMBL5208599 | 0.83 | CACNA1H (0.32) | — | |
| SCHEMBL5207795 | 0.82 | ADCY10 (0.36) | POLBSMN1; SMN2 | |
| SCHEMBL5210534 | 0.81 | GRM5 (0.35) | — | |
| SCHEMBL5214219 | 0.81 | FPR1 (0.39) | POLB | |
| SCHEMBL5211866 | 0.80 | — | — | |
| SCHEMBL14564994 | 0.79 | FLT1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | claimed |
| EP-1401826-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-31 | — | — | EP | claimed |
| US-6538015-B1 | Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is | HOFFMANN-LA ROCHE INC. | 2003-03-25 | — | — | US | claimed |
| WO-2002100853-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-19 | — | — | WO | claimed |
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1385836-A2 | AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS | Pharmacia Corporation (US) | 2004-02-04 | — | — | EP | disclosed |
| US-6538015-B1 | Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is | HOFFMANN-LA ROCHE INC. | 2003-03-25 | — | — | US | disclosed |
| WO-2002092588-A2 | AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-11-21 | — | — | WO | disclosed |